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113882-98-7 | Propanoic acid, 3-(dimethoxyphosphinyl)-3-oxo-, ethyl ester
CAS No: 113882-98-7 Catalog No: AG0009ZR MDL No:
Product Description
Catalog Number:
AG0009ZR
Chemical Name:
Propanoic acid, 3-(dimethoxyphosphinyl)-3-oxo-, ethyl ester
CAS Number:
113882-98-7
Molecular Formula:
C7H13O6P
Molecular Weight:
224.1483
IUPAC Name:
ethyl 3-dimethoxyphosphoryl-3-oxopropanoate
InChI:
InChI=1S/C7H13O6P/c1-4-13-6(8)5-7(9)14(10,11-2)12-3/h4-5H2,1-3H3
InChI Key:
WEDMBOLKLVEAIX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)P(=O)(OC)OC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.149g/mol
Monoisotopic Mass:
224.045g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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